7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C18H21N5O2S — CID 71588162

IUPAC7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1nc2nc(C)cc(C3CC3)n2n1
InChIInChI=1S/C18H21N5O2S/c1-4-13-7-5-6-11(2)16(13)22-26(24,25)18-20-17-19-12(3)10-15(14-8-9-14)23(17)21-18/h5-7,10,14,22H,4,8-9H2,1-3H3
InChIKeyLPJBAKRTUJODDH-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.98
Rot. Bonds5

About 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 71588162) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID71588162
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1nc2nc(C)cc(C3CC3)n2n1
InChIInChI=1S/C18H21N5O2S/c1-4-13-7-5-6-11(2)16(13)22-26(24,25)18-20-17-19-12(3)10-15(14-8-9-14)23(17)21-18/h5-7,10,14,22H,4,8-9H2,1-3H3
InChIKeyLPJBAKRTUJODDH-UHFFFAOYSA-N
XLogP2.98
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 71588162) is 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1nc2nc(C)cc(C3CC3)n2n1.
What is the InChIKey of 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is LPJBAKRTUJODDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-4-13-7-5-6-11(2)16(13)22-26(24,25)18-20-17-19-12(3)10-15(14-8-9-14)23(17)21-18/h5-7,10,14,22H,4,8-9H2,1-3H3.
What are the key properties of 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 371.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-(2-ethyl-6-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 71588162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).